methyl 1-[3-chloranyl-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-ylcarbonyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: methyl 1-[3-chloranyl-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-ylcarbonyl)phenyl]pyrazole-3-carboxylate Openeye Name: methyl 1-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]pyrazole-3-carboxylate CAS Name: 1-[3-chloro-4-[6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl(oxo)methyl]phenyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]pyrazole-3-carboxylate Traditional Name: 1-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]pyrazole-3-carboxylic acid methyl ester Formula: C24H19ClN4O3 MolecularWeight: 446.88566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C=C1)C2=CC(=C(C=C2)C(=O)N3CC4=CC=CN4CC5=CC=CC=C53)Cl

Isomeric SMILES

COC(=O)C1=NN(C=C1)C2=CC(=C(C=C2)C(=O)N3CC4=CC=CN4CC5=CC=CC=C53)Cl

InChI

InChI=1S/C24H19ClN4O3/c1-32-24(31)21-10-12-29(26-21)17-8-9-19(20(25)13-17)23(30)28-15-18-6-4-11-27(18)14-16-5-2-3-7-22(16)28/h2-13H,14-15H2,1H3